2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one

C18H25F3N2O — CID 95545428

About 2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one

2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one (PubChem CID 95545428) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
• PubChem CID: 95545428
• Molecular Formula: C18H25F3N2O
• Molecular Weight: 342.40 g/mol
• Exact Mass: 342.19
• IUPAC Name: 2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
• SMILES: CC(C)(N)C(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1
• InChI: InChI=1S/C18H25F3N2O/c1-17(2,22)16(24)23-10-4-6-14(12-23)9-8-13-5-3-7-15(11-13)18(19,20)21/h3,5,7,11,14H,4,6,8-10,12,22H2,1-2H3/t14-/m1/s1
• InChIKey: FORXSTDSYMDPJJ-CQSZACIVSA-N
• XLogP: 3.61
• TPSA: 46.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.40
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one?

The IUPAC name of 2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one (CID 95545428) is 2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one is CC(C)(N)C(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1.

What is the InChIKey of 2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one?

The InChIKey is FORXSTDSYMDPJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-17(2,22)16(24)23-10-4-6-14(12-23)9-8-13-5-3-7-15(11-13)18(19,20)21/h3,5,7,11,14H,4,6,8-10,12,22H2,1-2H3/t14-/m1/s1.

What are the key properties of 2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one?

2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one has a molecular weight of 342.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95545428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).